N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide

C13H21NO3 — CID 109478571

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C13H21NO3/c1-2-8-17-9-7-13(16)14-10-12(15)11-5-3-4-6-11/h1,11-12,15H,3-10H2,(H,14,16)
InChIKeyAWWJCGRKPWIPRE-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.69
Rot. Bonds7

About N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide (PubChem CID 109478571) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide
PubChem CID109478571
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide
SMILESC#CCOCCC(=O)NCC(O)C1CCCC1
InChIInChI=1S/C13H21NO3/c1-2-8-17-9-7-13(16)14-10-12(15)11-5-3-4-6-11/h1,11-12,15H,3-10H2,(H,14,16)
InChIKeyAWWJCGRKPWIPRE-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-3-ethoxypropanamide
CID 111425977
N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
CID 109478558
N-(2-cyclopropyl-2-hydroxyethyl)pent-4-ynamide
CID 107358903
3-amino-N-(2-cyclohexyl-2-hydroxyethyl)propanamide;hydrochloride
CID 119293866
3-cyclopentyl-N-[2-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-oxoethyl]propanamide
CID 111426276
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbutanamide
CID 111425656
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)propanamide
CID 63297161
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-prop-2-ynoxypropanamide
CID 146368927
N-(2-cyclohexyl-2-hydroxyethyl)-3-phenylsulfanylpropanamide
CID 56764303
N-(2-cyclopropyl-2-hydroxyethyl)-3-(methylamino)propanamide
CID 63297635
N-(2-cyclopentyl-2-hydroxyethyl)-4-(2-fluorophenoxy)butanamide
CID 111426079
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide (CID 109478571) is N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide is C#CCOCCC(=O)NCC(O)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide?
The InChIKey is AWWJCGRKPWIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-8-17-9-7-13(16)14-10-12(15)11-5-3-4-6-11/h1,11-12,15H,3-10H2,(H,14,16).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide has a molecular weight of 239.31 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-prop-2-ynoxypropanamide is sourced from PubChem (CID 109478571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).